1-(6-chloropyridazin-3-yl)-4-[5-(2-fluorophenyl)furan-2-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C21H15ClFN5O2 — CID 135655627

About 1-(6-chloropyridazin-3-yl)-4-[5-(2-fluorophenyl)furan-2-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

1-(6-chloropyridazin-3-yl)-4-[5-(2-fluorophenyl)furan-2-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135655627) has the molecular formula C21H15ClFN5O2 and a molecular weight of 423.84 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-4-[5-(2-fluorophenyl)furan-2-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

• Compound Name: 1-(6-chloropyridazin-3-yl)-4-[5-(2-fluorophenyl)furan-2-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• PubChem CID: 135655627
• Molecular Formula: C21H15ClFN5O2
• Molecular Weight: 423.84 g/mol
• Exact Mass: 423.09
• IUPAC Name: 1-(6-chloropyridazin-3-yl)-4-[5-(2-fluorophenyl)furan-2-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• SMILES: Cc1nn(-c2ccc(Cl)nn2)c2c1C(c1ccc(-c3ccccc3F)o1)CC(=O)N2
• InChI: InChI=1S/C21H15ClFN5O2/c1-11-20-13(16-7-6-15(30-16)12-4-2-3-5-14(12)23)10-19(29)24-21(20)28(27-11)18-9-8-17(22)25-26-18/h2-9,13H,10H2,1H3,(H,24,29)
• InChIKey: URCCEBNRNGDRPK-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.84
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-4-[5-(2-fluorophenyl)furan-2-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The IUPAC name of 1-(6-chloropyridazin-3-yl)-4-[5-(2-fluorophenyl)furan-2-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135655627) is 1-(6-chloropyridazin-3-yl)-4-[5-(2-fluorophenyl)furan-2-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-4-[5-(2-fluorophenyl)furan-2-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The canonical SMILES for 1-(6-chloropyridazin-3-yl)-4-[5-(2-fluorophenyl)furan-2-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccc(Cl)nn2)c2c1C(c1ccc(-c3ccccc3F)o1)CC(=O)N2.

What is the InChIKey of 1-(6-chloropyridazin-3-yl)-4-[5-(2-fluorophenyl)furan-2-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The InChIKey is URCCEBNRNGDRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN5O2/c1-11-20-13(16-7-6-15(30-16)12-4-2-3-5-14(12)23)10-19(29)24-21(20)28(27-11)18-9-8-17(22)25-26-18/h2-9,13H,10H2,1H3,(H,24,29).

What are the key properties of 1-(6-chloropyridazin-3-yl)-4-[5-(2-fluorophenyl)furan-2-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

1-(6-chloropyridazin-3-yl)-4-[5-(2-fluorophenyl)furan-2-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 423.84 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-chloropyridazin-3-yl)-4-[5-(2-fluorophenyl)furan-2-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135655627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).